Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK13 | O15264 | 4/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 4/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10669335 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C9KMT2AMAPK13MAPK12 | |
| SCHEMBL29677294 | 0.87 | ALDH1A1 (0.54) | KMT2AALDH1A1ALOX15HPGDERCC5 | |
| SCHEMBL93382 | 0.87 | ALDH1A1 (0.54) | KMT2AALDH1A1ALOX15HPGDERCC5 | |
| SCHEMBL29387256 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2C9KMT2AMAPK13MAPK12 | |
| SCHEMBL333141 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2C9KMT2AMAPK13MAPK12 | |
| SCHEMBL9375700 | 0.87 | ALDH1A1 (0.58) | CYP3A4CYP2C9KMT2AALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL8173416 | 0.85 | MAPK13 (0.42) | CYP3A4CYP2C9KMT2AMAPK13MAPK12 | |
| Ammonia Solution, Strong SCHEMBL27608787 | 0.85 | ALDH1A1 (0.52) | KMT2AALDH1A1ALOX15HPGDERCC5 | |
| SCHEMBL8799814 | 0.83 | MAPK13 (0.44) | CYP3A4CYP2C9KMT2AMAPK13MAPK12 | |
| SCHEMBL357669 | 0.81 | CYP3A4 (0.72) | CYP3A4CYP2C9KMT2AALDH1A1ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1289939-A1 | PHENYLGLYCINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001090051-A1 | PHENYLGLYCINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | disclosed |
| US-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |